Geometry & MOs

Info

ID:

428782

PubChem CID:

135168161

Reduced:

SN2H46C78 (1)

Stoich.:

AB2C46D78 (1)

Weight, g/mol:

988.38175

ΔHf, kcal/mol:

350.31

Dipole, Da:

1.31

IP(EA), eV:

 -8.09(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)N(C8=CC=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2S1)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations